2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid

C9H20N2O3 — CID 18401154

IUPAC2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCOCCN)C(=O)O
InChIInChI=1S/C9H20N2O3/c1-9(2,3)11(8(12)13)5-7-14-6-4-10/h4-7,10H2,1-3H3,(H,12,13)
InChIKeyYTGIWTWEGMIRPB-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.74
Rot. Bonds5

About 2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid

2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid (PubChem CID 18401154) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid
PubChem CID18401154
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCOCCN)C(=O)O
InChIInChI=1S/C9H20N2O3/c1-9(2,3)11(8(12)13)5-7-14-6-4-10/h4-7,10H2,1-3H3,(H,12,13)
InChIKeyYTGIWTWEGMIRPB-UHFFFAOYSA-N
XLogP0.74
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid?
The IUPAC name of 2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid (CID 18401154) is 2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid.
What is the SMILES notation for 2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid?
The canonical SMILES for 2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid is CC(C)(C)N(CCOCCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid?
The InChIKey is YTGIWTWEGMIRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,3)11(8(12)13)5-7-14-6-4-10/h4-7,10H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid?
2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid has a molecular weight of 204.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethyl-tert-butylcarbamic acid is sourced from PubChem (CID 18401154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).